SCHEMBL1707444

SCHEMBL1707444

C=C[CH]c1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.60
MAPT P10636 2/20 0.49
IDO1 P14902 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
AMY1A P0DUB6 1/20 0.46
AOC3 Q16853 2/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BCHE P06276 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL895740 0.83 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL29396424 0.83 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
Phosphine SCHEMBL29222824 0.82 CYP2A6 (0.62) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL29222843 0.80 CYP2A6 (0.66) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL3809659 0.79 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL28181946 0.79 CYP2A6 (0.69) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL2458423 0.79 CYP2A6 (0.69) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL2458425 0.79 CYP2A6 (0.69) CYP2A6MAPTIDO1NPSR1CYP1A2
Bromomethane SCHEMBL9679512 0.78 CYP2A6 (0.58) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL663629 0.77 CYP2A6 (0.61) CYP2A6MAPTIDO1NPSR1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217764-A1 NOX INHIBITORS FOR USE IN THE TREATMENT OF ALPORT SYNDROME CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2023-11-16 WO claimed
US-20210177811-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2021-06-17 US claimed
EP-3703747-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER GenKyoTex Suisse SA (CH) 2020-09-09 EP claimed
EP-3479843-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER GenKyoTex Suisse SA (CH) 2019-05-08 EP claimed
CN-105814027-A Novel compounds for the regeneration of terminally differentiated cells and tissues 阿库西亚医疗有限责任公司 2016-07-27 CN claimed
CN-105283224-A Composition comprising a combination of an acrylic polymer, a silicone copolymer and an amino acid or amino acid derivative OREAL 2016-01-27 CN claimed
CN-101356186-A Prion-specific peptoid reagents NOVARTIS AG (CH) 2009-01-28 CN claimed
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-03-27 US claimed
CN-101102775-A Methods of using PDEV inhibitors for the treatment of congestive heart failure SCHERING CORP (US) 2008-01-09 CN claimed
CN-101084201-A Triazolone, tetrazolone and imidazolone derivatives for use as alpha-2c adrenoreceptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-12-05 CN claimed
EP-0739338-A4 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE UNIV WICHITA STATE (US) 1997-03-26 EP claimed
EP-0739338-A1 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE THE WICHITA STATE UNIVERSITY (US) 1996-10-30 EP claimed
US-5550139-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT THE WICHITA STATE UNIVERSITY (US) 1996-08-27 US claimed
WO-1995018797-A1 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE THE WICHITA STATE UNIVERSITY (US) 1995-07-13 WO claimed
CN-1061411-A Be used to strengthen the active quinazoline derivant of antineoplastic agent PFIZER (US) 1992-05-27 CN claimed
CN-1033803-A The preparation of hypotensive agent mercapto-acylamino acid SCHERING CORP (US) 1989-07-12 CN claimed
EP-0199379-A2 Pharmacologically active tripeptides and process for their synthesis ENIRICERCHE S.p.A. (IT) 1986-10-29 EP claimed
US-4558034-A Inhibitors of bacterial collagenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF KENTUCKY (US) 1985-12-10 US claimed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP claimed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives METAP1, DNPEP, PEPD CYP2A6 2588/4885MAPT 3156/4885IDO1 186/4885
US-20210177811-A1 USE OF NOX INHIBITORS FOR TREATMENT OF CANCER NOX1, NOX5, NOX3 CYP2A6 4150/4885MAPT 3281/4885IDO1 396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.